Sr2VW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-631384 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Sr2VW

MP-ID

mp-631384

Elements

Sites

Density

5.9540

g/cm³

Volume

114.35

Å³

Cell a

5.4482

Cell b

5.4482

Cell c

5.4482

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 13)

2θ	d (Å)	I	hkl
19.96	4.4484	22.5	(1,1,1)
23.09	3.8525	2.2	(1,1,0)
32.88	2.7241	100.0	(2,1,1)
38.76	2.3231	13.2	(2,2,1)
47.18	1.9262	18.0	(2,2,0)
51.71	1.7676	6.0	(3,2,2)
58.70	1.5728	37.2	(3,3,2)
62.65	1.4828	4.7	(3,3,3)
68.94	1.3621	11.5	(4,2,2)
72.59	1.3024	4.6	(4,3,2)
78.52	1.2183	16.0	(4,3,1)
82.01	1.1750	1.7	(4,4,3)
87.77	1.1121	4.1	(4,4,4)

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Energy Properties

Formation Energy/atom

1.54014

eV/atom

Energy/atom

-22.39703

eV/atom

Energy above Hull

1.5709

eV/atom

Uncorrected Energy

-4.8187

eV/atom

Volume/atom

28.59

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.5607

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.057370

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

68.9637

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5828

smaller = more stable mixing

VEC

3.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.250

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.309

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.500

Related Tasks

Related computation task IDs (5)

aaadmeyy aaadwbpx aaadysmy aaaeslyd aaafyhwu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-631384

Reference Citation

The crystal structure and related material properties of Sr2VW were obtained from the Materials Project database (MP-ID: mp-631384, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Sr2VW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44819977
_cell_length_b   5.44819977
_cell_length_c   5.44819977
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VW
_chemical_formula_sum   'Sr2 V1 W1'
_cell_volume   114.35208087
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.25000000  0.25000000  0.25000000  1.0
  Sr  Sr1  1  0.75000000  0.75000000  0.75000000  1.0
  V  V2  1  0.00000000  0.00000000  0.00000000  1.0
  W  W3  1  0.50000000  0.50000000  0.50000000  1.0

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